SCHEMBL2559624

SCHEMBL2559624

O=Cc1ccc(OCc2ccc(C(=O)O)o2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.73
RAB9A P51151 7/20 0.73
POLB P06746 7/20 0.73
MRGPRX4 Q96LA9 1/20 0.73
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22480972 0.84 MRGPRX4 (1.00) NPC1RAB9APOLBMRGPRX4ALDH1A1
SCHEMBL3569627 0.80 NPC1 (0.73) NPC1RAB9APOLBMRGPRX4ALDH1A1
SCHEMBL2562273 0.79 MRGPRX4 (0.45) NPC1RAB9APOLBMRGPRX4ALDH1A1
SCHEMBL3456996 0.79 POLB (0.71) NPC1RAB9APOLBMRGPRX4ALDH1A1
SCHEMBL2555388 0.79 POLB (0.71) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL29956346 0.77 NPC1 (0.62) NPC1RAB9APOLBSMN1; SMN2HSD17B10
SCHEMBL6814621 0.76 NPC1 (0.67) NPC1RAB9APOLBMRGPRX4ALDH1A1
SCHEMBL1050683 0.76 SMN1; SMN2 (0.68) NPC1RAB9APOLBMRGPRX4ALDH1A1
SCHEMBL414613 0.76 TACR2 (0.70) NPC1RAB9AMRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL2556901 0.74 TP53 (0.48) NPC1RAB9APOLBMRGPRX4SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed